(1E,3E,5S,7S)-1-iodo-3,5,7-trimethylnona-1,3-diene

C12H21I — CID 10913328

IUPAC(1E,3E,5S,7S)-1-iodo-3,5,7-trimethylnona-1,3-diene
SMILESCC[C@H](C)C[C@H](C)/C=C(C)/C=C/I
InChIInChI=1S/C12H21I/c1-5-10(2)8-12(4)9-11(3)6-7-13/h6-7,9-10,12H,5,8H2,1-4H3/b7-6+,11-9+/t10-,12-/m0/s1
InChIKeyZTTMJOGXZKKWPC-HRVMZFPISA-N
MW292.20 g/mol
LogP4.95
Rot. Bonds5

About (1E,3E,5S,7S)-1-iodo-3,5,7-trimethylnona-1,3-diene

(1E,3E,5S,7S)-1-iodo-3,5,7-trimethylnona-1,3-diene (PubChem CID 10913328) has the molecular formula C12H21I and a molecular weight of 292.20 g/mol. Its IUPAC name is (1E,3E,5S,7S)-1-iodo-3,5,7-trimethylnona-1,3-diene.

Molecular Properties

Compound Name(1E,3E,5S,7S)-1-iodo-3,5,7-trimethylnona-1,3-diene
PubChem CID10913328
Molecular FormulaC12H21I
Molecular Weight292.20 g/mol
Exact Mass292.07
IUPAC Name(1E,3E,5S,7S)-1-iodo-3,5,7-trimethylnona-1,3-diene
SMILESCC[C@H](C)C[C@H](C)/C=C(C)/C=C/I
InChIInChI=1S/C12H21I/c1-5-10(2)8-12(4)9-11(3)6-7-13/h6-7,9-10,12H,5,8H2,1-4H3/b7-6+,11-9+/t10-,12-/m0/s1
InChIKeyZTTMJOGXZKKWPC-HRVMZFPISA-N
XLogP4.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.20
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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4-hydroxy-3-[(2E,4E,6E,8R,10R)-6,8,10-trimethyldodeca-2,4,6-trienoyl]-1H-pyridin-2-one
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(1R,4S,5R)-4-hydroxy-4-propan-2-yl-1-[(2E,4E,6E,8E,10R,12R)-8,10,12-trimethyltetradeca-2,4,6,8-tetraenoyl]-6-oxa-3-azabicyclo[3.1.0]hexan-2-one
CID 177433531
(E,4R,6R)-2,4,6-trimethyl-N-phenyloct-2-enamide
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5-(1,4-dihydroxycyclohexyl)-1,4-dihydroxy-3-[(2E,4E,6E)-6,8,10-trimethyldodeca-2,4,6-trienoyl]pyridin-2-one
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carbonic acid;3-methylpentane-1,1-diol
CID 87689978
(2Z,4E)-2-[3-[(3S)-3-carboxy-3-hydroxypropoxy]-2-methyl-3-oxopropyl]-4,6,8,10,12-pentamethyltetradeca-2,4-dienoic acid
CID 118035484
(4R,6R)-4,6-dimethyloctan-2-one
CID 15199451
3,5-dimethylheptane;ethane
CID 172617343
methyl (2E,4E,7R,8E,10E,14R)-7,9,14-trimethylhexadeca-2,4,8,10-tetraenoate
CID 10902803
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Frequently Asked Questions

What is the IUPAC name of (1E,3E,5S,7S)-1-iodo-3,5,7-trimethylnona-1,3-diene?
The IUPAC name of (1E,3E,5S,7S)-1-iodo-3,5,7-trimethylnona-1,3-diene (CID 10913328) is (1E,3E,5S,7S)-1-iodo-3,5,7-trimethylnona-1,3-diene.
What is the SMILES notation for (1E,3E,5S,7S)-1-iodo-3,5,7-trimethylnona-1,3-diene?
The canonical SMILES for (1E,3E,5S,7S)-1-iodo-3,5,7-trimethylnona-1,3-diene is CC[C@H](C)C[C@H](C)/C=C(C)/C=C/I.
What is the InChIKey of (1E,3E,5S,7S)-1-iodo-3,5,7-trimethylnona-1,3-diene?
The InChIKey is ZTTMJOGXZKKWPC-HRVMZFPISA-N. The full InChI is InChI=1S/C12H21I/c1-5-10(2)8-12(4)9-11(3)6-7-13/h6-7,9-10,12H,5,8H2,1-4H3/b7-6+,11-9+/t10-,12-/m0/s1.
What are the key properties of (1E,3E,5S,7S)-1-iodo-3,5,7-trimethylnona-1,3-diene?
(1E,3E,5S,7S)-1-iodo-3,5,7-trimethylnona-1,3-diene has a molecular weight of 292.20 g/mol, XLogP of 4.95, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E,5S,7S)-1-iodo-3,5,7-trimethylnona-1,3-diene is sourced from PubChem (CID 10913328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).